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N-[2-[(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID COkqNDXV71r
InChI InChI=1S/C34H43N7O4.ClH/c35-18-10-17-28(33(44)37-20-26-13-6-2-7-14-26)39-32(43)24-41-23-31(42)36-22-30(41)29(19-25-11-4-1-5-12-25)40-34(45)38-21-27-15-8-3-9-16-27;/h1-9,11-16,28-30H,10,17-24,35H2,(H,36,42)(H,37,44)(H,39,43)(H2,38,40,45);1H/t28?,29-,30+;/m0./s1
InChIKey FMEGOKRPRDXORH-KSEPNMNTSA-N
Mol Weight 650.2 g/mol
Molecular Formula C34H44ClN7O4
Exact Mass 649.314331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GTUVW1fHj0
Name N-[2-[(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H44ClN7O4
InChI InChI=1S/C34H43N7O4.ClH/c35-18-10-17-28(33(44)37-20-26-13-6-2-7-14-26)39-32(43)24-41-23-31(42)36-22-30(41)29(19-25-11-4-1-5-12-25)40-34(45)38-21-27-15-8-3-9-16-27;/h1-9,11-16,28-30H,10,17-24,35H2,(H,36,42)(H,37,44)(H,39,43)(H2,38,40,45);1H/t28?,29-,30+;/m0./s1
InChIKey FMEGOKRPRDXORH-KSEPNMNTSA-N
Literature Reference Author A.M.VALDIVIELSO,M.T.GARCIA-LOPEZ,M.GUTIERREZ-RODRIGUEZ,R.HER RANZ
Literature Reference Citation MOLECULES,19,4814(2014)
Literature Reference DOI 10.3390/molecules19044814
Molecular Weight 650.221 g/mol
Solvent DMSO-D6
Source File Reference UWBT14770